7-[[3-fluoranyl-5-(2-methylsulfonylphenyl)phenoxy]methyl]-4-(furan-3-yl)quinoline-2-carbonitrile

Systemtic Name: 7-[[3-fluoranyl-5-(2-methylsulfonylphenyl)phenoxy]methyl]-4-(furan-3-yl)quinoline-2-carbonitrile Openeye Name: 7-[[3-fluoro-5-(2-methylsulfonylphenyl)phenoxy]methyl]-4-(3-furyl)quinoline-2-carbonitrile CAS Name: 7-[[3-fluoro-5-(2-methylsulfonylphenyl)phenoxy]methyl]-4-(3-furanyl)-2-quinolinecarbonitrile IUPAC Name: 7-[[3-fluoro-5-(2-methylsulfonylphenyl)phenoxy]methyl]-4-(furan-3-yl)quinoline-2-carbonitrile Traditional Name: 7-[[3-fluoro-5-(2-mesylphenyl)phenoxy]methyl]-4-(3-furyl)quinaldonitrile Formula: C28H19FN2O4S MolecularWeight: 498.524863

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=CC(=C2)F)OCC3=CC4=NC(=CC(=C4C=C3)C5=COC=C5)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=CC(=C2)F)OCC3=CC4=NC(=CC(=C4C=C3)C5=COC=C5)C#N

InChI

InChI=1S/C28H19FN2O4S/c1-36(32,33)28-5-3-2-4-24(28)20-11-21(29)13-23(12-20)35-16-18-6-7-25-26(19-8-9-34-17-19)14-22(15-30)31-27(25)10-18/h2-14,17H,16H2,1H3